Methods in Molecular Biology - Computational Drug Discovery and Design
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Published By Springer New York

9781493977550, 9781493977567

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AGGRESCAN3D: Toward the Prediction of the Aggregation Propensities of Protein Structures

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-4939-7756-7_21 ◽

2018 ◽

pp. 427-443 ◽

Cited By ~ 5

Author(s):

Jordi Pujols ◽

Samuel Peña-Díaz ◽

Salvador Ventura

Keyword(s):

Protein Structures

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Building Molecular Interaction Networks from Microarray Data for Drug Target Screening

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-4939-7756-7_10 ◽

2018 ◽

pp. 179-197 ◽

Cited By ~ 3

Author(s):

Sze Chung Yuen ◽

Hongmei Zhu ◽

Siu-wai Leung

Keyword(s):

Microarray Data ◽

Molecular Interaction ◽

Drug Target ◽

Interaction Networks ◽

Molecular Interaction Networks ◽

Target Screening

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Evaluation of Protein–Ligand Docking by Cyscore

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-4939-7756-7_12 ◽

2018 ◽

pp. 233-243 ◽

Cited By ~ 2

Author(s):

Yang Cao ◽

Wentao Dai ◽

Zhichao Miao

Keyword(s):

Ligand Docking

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Automated Inference of Chemical Discriminants of Biological Activity

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-4939-7756-7_16 ◽

2018 ◽

pp. 307-338 ◽

Cited By ~ 3

Author(s):

Sebastian Raschka ◽

Anne M. Scott ◽

Mar Huertas ◽

Weiming Li ◽

Leslie A. Kuhn

Keyword(s):

Biological Activity ◽

Automated Inference

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Enhanced Molecular Dynamics Methods Applied to Drug Design Projects

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-4939-7756-7_20 ◽

2018 ◽

pp. 403-426

Author(s):

Sonia Ziada ◽

Abdennour Braka ◽

Julien Diharce ◽

Samia Aci-Sèche ◽

Pascal Bonnet

Keyword(s):

Molecular Dynamics ◽

Drug Design ◽

Molecular Dynamics Methods ◽

Design Projects

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Molecular Dynamics Simulations of Protein–Drug Complexes: A Computational Protocol for Investigating the Interactions of Small-Molecule Therapeutics with Biological Targets and Biosensors

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-4939-7756-7_13 ◽

2018 ◽

pp. 245-270 ◽

Cited By ~ 1

Author(s):

Jodi A. Hadden ◽

Juan R. Perilla

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Small Molecule ◽

Protein Drug ◽

Biological Targets ◽

Dynamics Simulations ◽

Small Molecule Therapeutics ◽

Computational Protocol

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Molecular Dynamics as a Tool for Virtual Ligand Screening

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-4939-7756-7_9 ◽

2018 ◽

pp. 145-178

Author(s):

Grégory Menchon ◽

Laurent Maveyraud ◽

Georges Czaplicki

Keyword(s):

Molecular Dynamics ◽

Ligand Screening ◽

Virtual Ligand Screening

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Prediction of Human Drug Targets and Their Interactions Using Machine Learning Methods: Current and Future Perspectives

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-4939-7756-7_2 ◽

2018 ◽

pp. 21-30 ◽

Cited By ~ 2

Author(s):

Abhigyan Nath ◽

Priyanka Kumari ◽

Radha Chaube

Keyword(s):

Machine Learning ◽

Drug Targets ◽

Future Perspectives ◽

Learning Methods ◽

Machine Learning Methods

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Computational Exploration of Conformational Transitions in Protein Drug Targets

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-4939-7756-7_17 ◽

2018 ◽

pp. 339-365 ◽

Cited By ~ 1

Author(s):

Benjamin P. Cossins ◽

Alastair D. G. Lawson ◽

Jiye Shi

Keyword(s):

Drug Targets ◽

Conformational Transitions ◽

Protein Drug ◽

Computational Exploration

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De Novo Design of Ligands Using Computational Methods

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-4939-7756-7_5 ◽

2018 ◽

pp. 71-86 ◽

Cited By ~ 1

Author(s):

Venkatesan Suryanarayanan ◽

Umesh Panwar ◽

Ishwar Chandra ◽

Sanjeev Kumar Singh

Keyword(s):

Computational Methods ◽

De Novo ◽

De Novo Design

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Methods in Molecular Biology - Computational Drug Discovery and DesignLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer New York

AGGRESCAN3D: Toward the Prediction of the Aggregation Propensities of Protein Structures

Building Molecular Interaction Networks from Microarray Data for Drug Target Screening

Evaluation of Protein–Ligand Docking by Cyscore

Automated Inference of Chemical Discriminants of Biological Activity

Enhanced Molecular Dynamics Methods Applied to Drug Design Projects

Molecular Dynamics Simulations of Protein–Drug Complexes: A Computational Protocol for Investigating the Interactions of Small-Molecule Therapeutics with Biological Targets and Biosensors

Molecular Dynamics as a Tool for Virtual Ligand Screening

Prediction of Human Drug Targets and Their Interactions Using Machine Learning Methods: Current and Future Perspectives

Computational Exploration of Conformational Transitions in Protein Drug Targets

De Novo Design of Ligands Using Computational Methods

Methods in Molecular Biology - Computational Drug Discovery and Design
Latest Publications